SCHEMBL13312189

SCHEMBL13312189

Cc1[nH]nc(NCCNc2n[nH]c(C)c2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.58
▸ AKT2 P31751 2/20 0.58
▸ KMT2A Q03164 2/20 0.54
▸ CRHR1 P34998 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IKBKE Q14164 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PLK4 O00444 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ ROCK2 O75116 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13312274 0.81 HSP90AA1 (0.48) CHEK1KMT2AL3MBTL1IKBKECNR1
SCHEMBL14207371 0.78 AKT2 (0.38) CHEK1AKT2KMT2ACRHR1IKBKE
SCHEMBL13312234 0.74 IKBKB (0.47) CHEK1KMT2ACRHR1CNR1CNR2
SCHEMBL873114 0.74 AKT2 (1.00) CHEK1AKT2KMT2AL3MBTL1IKBKE
SCHEMBL11192094 0.72 AKT2 (0.68) CHEK1AKT2KMT2AL3MBTL1CNR1
SCHEMBL2374203 0.71 AKT2 (0.66) CHEK1AKT2KMT2AL3MBTL1IKBKE
SCHEMBL526837 0.71 AKT2 (0.66) CHEK1AKT2KMT2AL3MBTL1IKBKE
SCHEMBL2375451 0.71 AKT2 (0.66) CHEK1AKT2KMT2AL3MBTL1IKBKE
SCHEMBL9048116 0.71 AKT2 (0.66) CHEK1AKT2KMT2AL3MBTL1IKBKE
SCHEMBL544723 0.71 AKT2 (1.00) CHEK1AKT2KMT2AL3MBTL1IKBKE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 CHEK1 3858/4885AKT2 1707/4885KMT2A 4668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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